3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine

C9H16N2 — CID 166776790

IUPAC3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
SMILESCC1=C2CC(C)CCN2NC1
InChIInChI=1S/C9H16N2/c1-7-3-4-11-9(5-7)8(2)6-10-11/h7,10H,3-6H2,1-2H3
InChIKeyQVVIQUPHTFZAOG-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.51
Rot. Bonds

About 3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine

3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine (PubChem CID 166776790) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
PubChem CID166776790
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
SMILESCC1=C2CC(C)CCN2NC1
InChIInChI=1S/C9H16N2/c1-7-3-4-11-9(5-7)8(2)6-10-11/h7,10H,3-6H2,1-2H3
InChIKeyQVVIQUPHTFZAOG-UHFFFAOYSA-N
XLogP1.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine (CID 166776790) is 3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine is CC1=C2CC(C)CCN2NC1.
What is the InChIKey of 3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine?
The InChIKey is QVVIQUPHTFZAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-3-4-11-9(5-7)8(2)6-10-11/h7,10H,3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine?
3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine has a molecular weight of 152.24 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 166776790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).